CID 54592597

2-(piperazin-1-ylmethyl)-4-(propan-2-yl)morpholine

Structural Information

Molecular Formula
C12H25N3O
SMILES
CC(C)N1CCOC(C1)CN2CCNCC2
InChI
InChI=1S/C12H25N3O/c1-11(2)15-7-8-16-12(10-15)9-14-5-3-13-4-6-14/h11-13H,3-10H2,1-2H3
InChIKey
ALTPGGUBKWRYOA-UHFFFAOYSA-N
Compound name
2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

227.19977 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.20705 159.6
[M+Na]+ 250.18899 161.1
[M-H]- 226.19249 159.1
[M+NH4]+ 245.23359 170.8
[M+K]+ 266.16293 159.5
[M+H-H2O]+ 210.19703 149.8
[M+HCOO]- 272.19797 168.6
[M+CH3COO]- 286.21362 187.9
[M+Na-2H]- 248.17444 160.6
[M]+ 227.19922 150.7
[M]- 227.20032 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe